N-(2,6-dimethylphenyl)ethanimine

C10H13N — CID 10993945

IUPACN-(2,6-dimethylphenyl)ethanimine
SMILESC/C=N/c1c(C)cccc1C
InChIInChI=1S/C10H13N/c1-4-11-10-8(2)6-5-7-9(10)3/h4-7H,1-3H3/b11-4+
InChIKeyCLEYECHXLFPJOH-NYYWCZLTSA-N
MW147.22 g/mol
LogP3.03
Rot. Bonds1

About N-(2,6-dimethylphenyl)ethanimine

N-(2,6-dimethylphenyl)ethanimine (PubChem CID 10993945) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)ethanimine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)ethanimine
PubChem CID10993945
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(2,6-dimethylphenyl)ethanimine
SMILESC/C=N/c1c(C)cccc1C
InChIInChI=1S/C10H13N/c1-4-11-10-8(2)6-5-7-9(10)3/h4-7H,1-3H3/b11-4+
InChIKeyCLEYECHXLFPJOH-NYYWCZLTSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)ethanimine?
The IUPAC name of N-(2,6-dimethylphenyl)ethanimine (CID 10993945) is N-(2,6-dimethylphenyl)ethanimine.
What is the SMILES notation for N-(2,6-dimethylphenyl)ethanimine?
The canonical SMILES for N-(2,6-dimethylphenyl)ethanimine is C/C=N/c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)ethanimine?
The InChIKey is CLEYECHXLFPJOH-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H13N/c1-4-11-10-8(2)6-5-7-9(10)3/h4-7H,1-3H3/b11-4+.
What are the key properties of N-(2,6-dimethylphenyl)ethanimine?
N-(2,6-dimethylphenyl)ethanimine has a molecular weight of 147.22 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)ethanimine is sourced from PubChem (CID 10993945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).